1-methoxy-2-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane

C16H30O — CID 137428508

IUPAC1-methoxy-2-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
SMILESCOC1CCC(CC2CCC(C)CC2)CC1C
InChIInChI=1S/C16H30O/c1-12-4-6-14(7-5-12)11-15-8-9-16(17-3)13(2)10-15/h12-16H,4-11H2,1-3H3
InChIKeyHQCZWKKJAHALSE-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.65
Rot. Bonds3

About 1-methoxy-2-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane

1-methoxy-2-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane (PubChem CID 137428508) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-methoxy-2-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane.

Molecular Properties

Compound Name1-methoxy-2-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
PubChem CID137428508
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-methoxy-2-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
SMILESCOC1CCC(CC2CCC(C)CC2)CC1C
InChIInChI=1S/C16H30O/c1-12-4-6-14(7-5-12)11-15-8-9-16(17-3)13(2)10-15/h12-16H,4-11H2,1-3H3
InChIKeyHQCZWKKJAHALSE-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane?
The IUPAC name of 1-methoxy-2-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane (CID 137428508) is 1-methoxy-2-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane.
What is the SMILES notation for 1-methoxy-2-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane?
The canonical SMILES for 1-methoxy-2-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane is COC1CCC(CC2CCC(C)CC2)CC1C.
What is the InChIKey of 1-methoxy-2-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane?
The InChIKey is HQCZWKKJAHALSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-12-4-6-14(7-5-12)11-15-8-9-16(17-3)13(2)10-15/h12-16H,4-11H2,1-3H3.
What are the key properties of 1-methoxy-2-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane?
1-methoxy-2-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane has a molecular weight of 238.41 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane is sourced from PubChem (CID 137428508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).